3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C10H13FN2OS — CID 126794153

IUPAC3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nccs1)C1CCCC(F)C1
InChIInChI=1S/C10H13FN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h4-5,7-8H,1-3,6H2,(H,12,13,14)
InChIKeyBTXIJIZEWXAKDT-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.61
Rot. Bonds2

About 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 126794153) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID126794153
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nccs1)C1CCCC(F)C1
InChIInChI=1S/C10H13FN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h4-5,7-8H,1-3,6H2,(H,12,13,14)
InChIKeyBTXIJIZEWXAKDT-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-fluoro-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 129348789
9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 5067003
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
N-(1,3-thiazol-2-yl)azetidine-2-carboxamide
CID 130992868
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
(3R)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94816093
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
(3S)-1-[(2E,4E)-hexa-2,4-dienoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94638871
(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94131947
1-(4-cyclopentyloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55961185

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 126794153) is 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is O=C(Nc1nccs1)C1CCCC(F)C1.
What is the InChIKey of 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is BTXIJIZEWXAKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h4-5,7-8H,1-3,6H2,(H,12,13,14).
What are the key properties of 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 126794153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).